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We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate across representative benchmark tasks. Tensor network methods…

Quantum Physics · Physics 2026-01-16 Weitang Li , Jiajun Ren , Lixue Cheng , Cunxi Gong

This paper addresses a kernel-based learning problem for a network of agents locally observing a latent multidimensional, nonlinear phenomenon in a noisy environment. We propose a learning algorithm that requires only mild a priori…

Multiagent Systems · Computer Science 2024-04-16 Krzysztof Kowalczyk , Paweł Wachel , Cristian R. Rojas

Recent studies show that LLMs possess different skills and specialize in different tasks. In fact, we observe that their varied performance occur in several levels of granularity. For example, in the code optimization task, code LLMs excel…

Artificial Intelligence · Computer Science 2025-10-24 Yuanzhe Liu , Ryan Deng , Tim Kaler , Xuhao Chen , Charles E. Leiserson , Yao Ma , Jie Chen

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Deep learning (DL) is one of the most prominent branches of machine learning. Due to the immense computational cost of DL workloads, industry and academia have developed DL libraries with highly-specialized kernels for each…

GPUs are vastly underutilized, even when running resource-intensive AI applications, as GPU kernels within each job have diverse resource profiles that may saturate some parts of a device while often leaving other parts idle. Colocating…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-17 Paul Elvinger , Foteini Strati , Natalie Enright Jerger , Ana Klimovic

Large Language Models (LLMs), prominently highlighted by the recent evolution in the Generative Pre-trained Transformers (GPT) series, have displayed significant prowess across various domains, such as aiding in healthcare diagnostics and…

Portfolio Management · Quantitative Finance 2023-09-08 Yang Li , Yangyang Yu , Haohang Li , Zhi Chen , Khaldoun Khashanah

Conventional kernel-based machine learning models for ab initio potential energy surfaces, while accurate and convenient in small data regimes, suffer immense computational cost as training set sizes increase. We introduce QML-Lightning, a…

Chemical Physics · Physics 2022-12-21 Nicholas J. Browning , Felix A. Faber , O. Anatole von Lilienfeld

Kernel methods are considered an effective technique for on-line learning. Many approaches have been developed for compactly representing the dual solution of a kernel method when the problem imposes memory constraints. However, in…

Machine Learning · Computer Science 2016-07-21 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

GPU kernels have come to the forefront of computing due to their utility in varied fields, from high-performance computing to machine learning. A typical GPU compute kernel is invoked millions, if not billions of times in a typical…

Machine Learning · Computer Science 2024-04-18 Khawir Mahmood , Jehandad Khan , Hammad Afzal

Agentic workflows are composed of sequences of interdependent Large Language Model (LLM) calls, and they have become a dominant workload in modern AI systems. These workflows exhibit extensive redundancy from overlapping prompts and…

Multiagent Systems · Computer Science 2026-03-18 Noppanat Wadlom , Junyi Shen , Yao Lu

Agentic large language models often rely on skills, reusable natural language procedures that guide planning, action, and tool use. In practice, skills are typically improved through prompt engineering or by aligning the task LLM itself,…

Multiple Kernel Learning, or MKL, extends (kernelized) SVM by attempting to learn not only a classifier/regressor but also the best kernel for the training task, usually from a combination of existing kernel functions. Most MKL methods seek…

Machine Learning · Computer Science 2016-03-07 John Moeller , Sarathkrishna Swaminathan , Suresh Venkatasubramanian

Large Language Models (LLMs) in agentic workflows combine multi-step reasoning, heterogeneous tool use, and collaboration across multiple specialized agents. Existing LLM serving engines optimize individual calls in isolation, while…

Databases · Computer Science 2026-01-21 Junyi Shen , Noppanat Wadlom , Yao Lu

Recent works have highlighted the significance of memory mechanisms in LLM-based agents, which enable them to store observed information and adapt to dynamic environments. However, evaluating their memory capabilities still remains…

Computation and Language · Computer Science 2025-06-30 Haoran Tan , Zeyu Zhang , Chen Ma , Xu Chen , Quanyu Dai , Zhenhua Dong

Scaling up data, parameters, and test-time computation has been the mainstream methods to improve LLM systems (LLMsys), but their upper bounds are almost reached due to the gradual depletion of high-quality data and marginal gains obtained…

Machine Learning · Computer Science 2026-05-12 Qingyao Ai , Yichen Tang , Changyue Wang , Jianming Long , Weihang Su , Yiqun Liu

Large Language Model (LLM)-based agents are increasingly deployed for complex, tool-based tasks where long-term memory is critical to driving actions. Existing benchmarks, however, primarily test a angent's ability to passively retrieve…

Computation and Language · Computer Science 2026-01-29 Yiting Shen , Kun Li , Wei Zhou , Songlin Hu

Deep neural networks (DNN) have shown superior performance in a variety of tasks. As they rapidly evolve, their escalating computation and memory demands make it challenging to deploy them on resource-constrained edge devices. Though…

Machine Learning · Computer Science 2021-09-07 Jiaqi Gu , Hanqing Zhu , Chenghao Feng , Mingjie Liu , Zixuan Jiang , Ray T. Chen , David Z. Pan

Large Language Models (LLMs) have the capacity of performing complex scheduling in a multi-agent system and can coordinate these agents into completing sophisticated tasks that require extensive collaboration. However, despite the…

Artificial Intelligence · Computer Science 2023-09-20 Ran Gong , Qiuyuan Huang , Xiaojian Ma , Hoi Vo , Zane Durante , Yusuke Noda , Zilong Zheng , Song-Chun Zhu , Demetri Terzopoulos , Li Fei-Fei , Jianfeng Gao

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on…

Artificial Intelligence · Computer Science 2025-10-10 Shangheng Du , Xiangchao Yan , Dengyang Jiang , Jiakang Yuan , Yusong Hu , Xin Li , Liang He , Bo Zhang , Lei Bai